REMARK  Name = BDB029256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.163  -0.177   1.314  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -1.297  -1.691   1.546  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.409  -2.253   0.452  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        0.713  -1.221   0.403  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.033   0.044   0.527  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -5.728   1.311   0.710  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -4.412   1.084   0.286  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1       -3.663   1.280  -0.907  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -2.377   0.834  -0.675  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1       -2.315   0.384   0.620  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1       -3.546   0.525   1.215  0.00  0.00    +0.148 A 
ATOM     12  N   LIG    1       -3.844   0.167   2.477  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -5.130   0.437   2.768  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -6.073   0.972   1.968  0.00  0.00    -0.220 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -6.715   1.853  -0.099  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -6.599   1.693  -1.089  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -7.636   1.681   0.286  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1       -0.756  -2.095   2.819  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1       -1.352  -1.734   3.503  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        0.068  -3.561   0.738  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1        0.118  -3.610   1.718  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1        1.545  -1.334  -0.892  0.00  0.00    +0.176 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.678  -0.321  -0.916  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        3.951  -0.638  -0.411  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        4.920   0.339  -0.445  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1        6.349   0.644  -0.111  0.00  0.00    +0.040 C 
ATOM     27  C   LIG    1        6.071   2.075  -0.679  0.00  0.00    +0.040 C 
ATOM     28  C   LIG    1        4.676   1.593  -0.945  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1        3.447   1.952  -1.443  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        2.440   0.982  -1.425  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
BRANCH  22  31
ATOM     31  O   LIG    1        2.096  -2.647  -1.054  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1        1.473  -3.294  -0.666  0.00  0.00    +0.210 HD
ENDBRANCH  22  31
ENDBRANCH   4  22
TORSDOF 7